Thermodynamics Research Center / ThermoML | Fluid Phase Equilibria

Measurement and correlation of vapor liquid equilibria of binary systems containing the ionic liquids [EMIM][(CF3SO2)2N], [BMIM][(CF3SO2)2N], [MMIM][(CH3)2PO4] and oxygenated organic compounds respectively water

Kato, R.[Ryo], Gmehling, J.
Fluid Phase Equilib. 2005, 231, 1, 38-43
ABSTRACT
VaporCliquid equilibria (VLE) have been measured for methanol, ethanol, 2-propanol, acetone, tetrahydrofuran (THF) and water with the ionic liquids 1-ethyl-3-methyl-imidazolium bis(trifluoromethylsulfonyl)imide [EMIM][(CF3SO2)2N], 1-butyl-3-methyl-imidazolium bis(trifluoromethylsulfonyl)imide [BMIM][(CF3SO2)2N], 1-methyl-3-methyl-imidazolium dimethylphosphate [MMIM][(CH3)2PO4] at 353.15K with the help of a computer-driven static apparatus. Forwater a miscibility gapwas observed with [EMIM][(CF3SO2)2N] and [BMIM][(CF3SO2)2N] at 353.15 K, for the oxygenated compounds (acetone, alcohols and THF) homogeneous behavior was obtained. While for THF positive deviation from Raoult!-s law was observed, very small activity coefficients at infinite dilution |A!Pi were observed for water and alcohols with [MMIM][(CH3)2PO4]. The experimental VLE data were correlated using the UNIQUAC model. The relative mean deviations between the measured and predicted pressures obtained using the UNIQUAC model are 4.7%.
Compounds
# Formula Name
1 C3H6O acetone
2 C3H8O propan-2-ol
3 C4H8O tetrahydrofuran
4 H2O water
5 C8H11F6N3O4S2 1-ethyl-3-methylimidazolium bis((trifluoromethyl)sulfonyl)imide
6 C10H15F6N3O4S2 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
7 C2H6O ethanol
8 CH4O methanol
9 C7H15N2O4P 1,3-dimethylimidazolium dimethylphosphate
Datasets
The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type Compound-# Property Variable Constraint Phase Method #Points
  • POMD
  • 1
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:2
  • 3
  • POMD
  • 2
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:2
  • 2
  • POMD
  • 3
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:2
  • 2
  • POMD
  • 4
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:2
  • 2
  • POMD
  • 7
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:2
  • 1
  • POMD
  • 8
  • Vapor or sublimation pressure, kPa ; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL::UFactor:2
  • 1
  • POMD
  • 8
  • 9
  • Activity coefficient - 8 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 8; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Static method
  • 1
  • POMD
  • 8
  • 9
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 8; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:2
  • 28
  • POMD
  • 7
  • 9
  • Activity coefficient - 7 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 7; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Static method
  • 1
  • POMD
  • 7
  • 9
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 7; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:2
  • 33
  • POMD
  • 1
  • 9
  • Activity coefficient - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Static method
  • 1
  • POMD
  • 1
  • 9
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:8
  • 32
  • POMD
  • 3
  • 9
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Static method
  • 1
  • POMD
  • 3
  • 9
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:2
  • 33
  • POMD
  • 4
  • 9
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Static method
  • 1
  • POMD
  • 4
  • 9
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:2
  • 29
  • POMD
  • 1
  • 5
  • Activity coefficient - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Static method
  • 1
  • POMD
  • 1
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:2
  • 29
  • POMD
  • 2
  • 5
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Static method
  • 1
  • POMD
  • 2
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:2
  • 34
  • POMD
  • 3
  • 5
  • Activity coefficient - 3 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 3; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Static method
  • 1
  • POMD
  • 3
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 3; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:2
  • 37
  • POMD
  • 4
  • 5
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Static method
  • 1
  • POMD
  • 4
  • 5
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:2
  • 26
  • POMD
  • 1
  • 6
  • Activity coefficient - 1 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 1; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Static method
  • 1
  • POMD
  • 1
  • 6
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 1; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:2
  • 31
  • POMD
  • 2
  • 6
  • Activity coefficient - 2 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 2; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Static method
  • 1
  • POMD
  • 2
  • 6
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 2; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:2
  • 32
  • POMD
  • 4
  • 6
  • Activity coefficient - 4 ; Liquid
  • Temperature, K; Liquid
  • Mole fraction - 4; Liquid
  • Pressure, kPa; Liquid
  • Liquid
  • Static method
  • 1
  • POMD
  • 4
  • 6
  • Vapor or sublimation pressure, kPa ; Liquid
  • Mole fraction - 4; Liquid
  • Temperature, K; Liquid
  • Liquid
  • Gas
  • CCELL:UFactor:2
  • 20